General Information of the Compound
| Compound ID |
CP0511651
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| Compound Name |
CHEMBL69881
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| Formula |
C26H33N3O3S
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| Molecular Weight |
467.635
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| Canonical SMILES |
Oc1ccc2C3CC(NC[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1
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| InChI |
InChI=1S/C26H33N3O3S/c30-21-11-12-23-20(14-21)10-13-25-24(23)15-26(29-25)27-16-18-6-8-19(9-7-18)17-28-33(31,32)22-4-2-1-3-5-22/h1-5,11-12,14,18-19,24-25,28,30H,6-10,13,15-17H2,(H,27,29)/t18-,19-,24?,25?
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| InChIKey |
WVLBEZFZHMDGBG-YPBCEPMSSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound